7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole

C21H19NO2 — CID 24897699

IUPAC7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole
SMILESCOc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)c(C)cc12
InChIInChI=1S/C21H19NO2/c1-14-10-18-17-9-8-16(23-2)11-19(17)22-20(18)12-21(14)24-13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3
InChIKeyWDLOROADCOGGII-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.22
Rot. Bonds4

About 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole

7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole (PubChem CID 24897699) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole.

Molecular Properties

Compound Name7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole
PubChem CID24897699
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole
SMILESCOc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)c(C)cc12
InChIInChI=1S/C21H19NO2/c1-14-10-18-17-9-8-16(23-2)11-19(17)22-20(18)12-21(14)24-13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3
InChIKeyWDLOROADCOGGII-UHFFFAOYSA-N
XLogP5.22
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole?
The IUPAC name of 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole (CID 24897699) is 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole.
What is the SMILES notation for 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole?
The canonical SMILES for 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole is COc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)c(C)cc12.
What is the InChIKey of 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole?
The InChIKey is WDLOROADCOGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-10-18-17-9-8-16(23-2)11-19(17)22-20(18)12-21(14)24-13-15-6-4-3-5-7-15/h3-12,22H,13H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole?
7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole has a molecular weight of 317.39 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2-phenylmethoxy-9H-carbazole is sourced from PubChem (CID 24897699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).